(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C12H15NO3 — CID 129312530

IUPAC(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCC[C@@H]1NC(=O)OC1c1ccc(OC)cc1
InChIInChI=1S/C12H15NO3/c1-3-10-11(16-12(14)13-10)8-4-6-9(15-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,13,14)/t10-,11?/m0/s1
InChIKeyDTMSFEPLWGKINR-VUWPPUDQSA-N
MW221.26 g/mol
LogP2.25
Rot. Bonds3

About (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one

(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 129312530) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID129312530
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCC[C@@H]1NC(=O)OC1c1ccc(OC)cc1
InChIInChI=1S/C12H15NO3/c1-3-10-11(16-12(14)13-10)8-4-6-9(15-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,13,14)/t10-,11?/m0/s1
InChIKeyDTMSFEPLWGKINR-VUWPPUDQSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 129312530) is (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is CC[C@@H]1NC(=O)OC1c1ccc(OC)cc1.
What is the InChIKey of (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DTMSFEPLWGKINR-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-10-11(16-12(14)13-10)8-4-6-9(15-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H,13,14)/t10-,11?/m0/s1.
What are the key properties of (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 129312530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).